null

SMILES Oc1c(ccc2cccnc12)C(Nc1ccccn1)c1ccccc1

InChI Key InChIKey=WHPVVFZPXKODBB-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50339142   

TargetBotulinum neurotoxin type A(Clostridium botulinum)
U.S. Army Medical Research Institute of Infectious Diseases

Curated by ChEMBL
LigandPNGBDBM50339142(CHEMBL1688558 | rac-7-(phenyl(pyridin-2-ylamino)me...)copy SMILEScopy InChI
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of protease activity of recombinant full-length Clostridium botulinum BoNT/A light chain after 5 mins by HPLC-based assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N29X7XPubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
U.S. Army Medical Research Institute of Infectious Diseases

Curated by ChEMBL
LigandPNGBDBM50339142(CHEMBL1688558 | rac-7-(phenyl(pyridin-2-ylamino)me...)copy SMILEScopy InChI
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of protease activity of recombinant Clostridium botulinum BoNT/A (1 to 425) light chain after 5 mins by HPLC-based assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N29X7XPubMed
LigandPNGBDBM50339142(CHEMBL1688558 | rac-7-(phenyl(pyridin-2-ylamino)me...)copy SMILEScopy InChI
Affinity DataIC50: 3.16E+4nMAssay Description:Inhibition of N-terminal His-tagged human JMJD7 (1 to 316 residues) expressed in Escherichia coli BL21 (DE3) luciferase based succinate-gloTM JmjC de...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CF9TWHPubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
U.S. Army Medical Research Institute of Infectious Diseases

Curated by ChEMBL
LigandPNGBDBM50339142(CHEMBL1688558 | rac-7-(phenyl(pyridin-2-ylamino)me...)copy SMILEScopy InChI
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NP26PMPubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
U.S. Army Medical Research Institute of Infectious Diseases

Curated by ChEMBL
LigandPNGBDBM50339142(CHEMBL1688558 | rac-7-(phenyl(pyridin-2-ylamino)me...)copy SMILEScopy InChI
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of Clostridium botulinum BoNT/A LC expressed in Escherichia coli assessed as cleavage of SNAPtide preincubated for 5 mins followed by SNAP...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GH9KDZPubMed